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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantifying uncertainties in α -nucleus reaction dynamics informed from first principles

The ab initio symmetry-adapted no-core shell model is a microscopic many-body method which naturally describes challenging collective and clustering features of atomic nuclei. Wave functions and observables computed with realistic nucleon-nucleon forces in this framework are tied to first principles, and are hence well-suited for rigorous uncertainty quantification. We discuss α-deuteron and α- 12 C cluster potentials informed by symmetry-adapted calculations, and propagate uncertainties in the effective binary cluster method as well as those in the nuclear interaction to reaction observables, namely scattering phase shifts, cross sections, partial widths and resonance energies. Here, we find that the overall uncertainties are dominated by those originating in the underlying nuclear force, speaking to the need for tighter constraints on realistic nucleon-nucleon interactions.

Ab initio↗
DOE OSTI2017

Observation of β-delayed two-proton emission in the decay of 22 Si

The decay of the lightest nucleus with Tz=-3, 22 Si, was studied by a silicon array. A charged-particle group at 5600 (70) keV in the decay-energy spectrum was identified experimentally as β-delayed two-proton emission from the isobaric analog state (IAS) of 22 Al. Experimental results of the IAS fed by a superallowed Fermi transition were compared with our large-scale shell-model calculations. The ground-state mass of 22 Si was obtained indirectly in the experiment for the first time. Two-proton separation energy for 22 Si is deduced to be -108 (125) keV, which indicates that it is a very marginal candidate for two-proton ground-state emission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Measurement of key resonance states for the P 30 ( p , γ ) S 31 reaction rate, and the production of intermediate-mass elements in nova explosions

We report the first experimental constraints on spectroscopic factors and strengths of key resonances in the P-30(p, gamma)S-31 reaction critical for determining the production of intermediate-mass elements up to Ca in nova ejecta. The P-30(d,n)S-31 reaction was studied in inverse kinematics using the GRETINA gamma-ray array to measure the angle-integrated cross-sections of states above the proton threshold. In general, negative parity states are found to be most strongly produced but the absolute values of spectroscopic factors are typically an order of magnitude lower than predicted by the shell-model calculations employing WBP Hamiltonian for the negative-parity states. The results clearly indicate the dominance of a single 3/2(-) resonance state at 196 keV in the region of nova burning T approximate to 0.10-0.17 GM, well within the region of interest for nova nucleosynthesis. Hydrodynamic simulations of nova explosions have been performed to demonstrate the effect on the composition of nova ejecta.

Kankainen, A. (ORCID:0000000310827602)↗
DOE OSTI2017

Reorientation-effect measurement of the first 2 + state in 12 C: Confirmation of oblate deformation

A Coulomb-excitation reorientation-effect measurement using the TIGRESS γ-ray spectrometer at the TRIUMF/ISAC II facility has permitted the determination of the $\langle$2$^+_1$ || $\hat{E2}$ || $2^+_1$$\rangle$ diagonal matrix element in 12 C from particle-γ coincidence data and state-of-the-art no-core shell model calculations of the nuclear polarizability. The nuclear polarizability for the ground and first-excited (2$^+_1$) states in 12 C have been calculated using chiral NN N 4 LO500 and NN+3NF350 interactions, which show convergence and agreement with photo-absorption cross-section data. Predictions show a change in the nuclear polarizability with a substantial increase between the ground state and first excited 2$^+_1$ state at 4.439 MeV. The polarizability of the 2$^+_1$ state is introduced into the current and previous Coulomb-excitation reorientation-effect analyses of 12 C. Spectroscopic quadrupole moments of $Q_S$(2$^+_1$) =+0.053(44) eb and $Q_S$(2$^+_1$) =+0.08(3) are determined, respectively, yielding a weighted average of $Q_S$(2$^+_1$)=+0.071(25) eb, in agreement with recent ab initio calculations. The present measurement confirms that the 2$^+_1$ state of 12 C is oblate and emphasizes the important role played by the nuclear polarizability in Coulomb-excitation studies of light nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Two-phonon wobbling in 135 Pr

The second-phonon (n ω = 2) wobbling band has been established in the nucleus 135 Pr. Conclusive evidence for its wobbling nature comes from the ΔI = 1, E2 character of the transitions between the new band and the previously identified transverse wobbler band (n ω = 1) in this nucleus. Theoretical calculations in the framework of the quasiparticle triaxial rotor and triaxial projected shell models are found to be in good agreement with the experimental results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Nuclear physics without high-momentum potentials: Constructing the nuclear effective interaction directly from scattering observables

The traditional approach to nuclear physics encodes phase shift information in a nucleon-nucleon (NN) potential, producing a nucleon-level interaction that captures the sub-GeV consequences of QCD. A further reduction to the nuclear scale is needed to produce an effective interaction for soft Hilbert spaces, such as those employed in the shell model. Here we describe an alternative construction of the effective interaction that is simple and quite precise, proceeding from the QCD scale directly to the nuclear scale. This eliminates the need for constructing and renormalizing the high-momentum NN potential. Instead, continuum phase shifts and mixing angles are used directly at the nuclear scale. The method exploits the analytic continuity in energy of HOBET (Harmonic-Oscillator-Based Effective Theory) to connect bound states to continuum solutions at specific energies. The procedure is systematic, cutoff independent, and convergent, yielding keV accuracy at NNLO or N 3 LO, depending on the channel. Lepage plots are provided.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Emergence of an island of extreme nuclear isomerism at high excitation near 208 Pb

Metastable states with $T_{1/2}$ = 8(2) ms in 205Bi and $T_{1/2}$ = 0.22(2) ms in 204 Pb, with ≈ 8 MeV excitation energy and angular momentum ≥ 22 $\hbar$, have been established. These represent, by up to two orders of magnitude, the longest-lived nuclear states above an excitation energy of 7 MeV, ever identified in the nuclear chart. Additionally, the half-life of the 10.17 MeV state in 206 Bi has been determined to be 0.027(2) ms, the next highest value in this highly excited regime. These observations indicate the emergence of an island of extreme nuclear isomerism arising from core-excited configurations at high excitation in the vicinity of the doubly closed-shell nucleus 208 Pb. These results are expected to provide discriminating tests of the effective interactions used in current large-scale shell-model calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Neutral-current neutrino cross section and expected supernova signals for 40 Ar from a three-fold increase in the magnetic dipole strength

In view of the great interest in liquid argon neutrino detectors, the 40 Ar(γ,γ') 40 Ar reaction was revisited to guide a calculation of the neutral current neutrino cross section at supernova energies. Using the nuclear resonance fluorescence technique with a monoenergetic, 99% linearly polarized photon beam, in this work we report a three-fold increase in magnetic dipole strength at around 10 MeV in 40 Ar. Based on shell-model calculations, and using the experimentally identified transitions, the neutral current neutrino cross sections for low-energy reactions on 40 Ar are calculated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

An alternative viewpoint on the nuclear structure towards 100 Sn: Lifetime measurements in 105 Sn

This work aims at presenting an alternative approach to the long standing problem of the B(E2) values in Sn isotopes in the vicinity of the N=Z double-magic nucleus 100 Sn, until now predominantly measured with relativistic and intermediate-energy Coulomb excitation reactions. The direct measurement of the lifetime of low-lying excited states in odd-even Sn isotopes provides a new and precise guidance for the theoretical description of the nuclear structure in this region. Lifetime measurements have been performed in 105 Sn for the first time with the coincidence Recoil Distance Doppler Shift technique. The lifetime results for the $7/2^+_1$ first excited state and the $11/2^+_1$ state, $2^+ (^{104}$Sn) Ⓧ $v1g_{7/2}$ multiplet member, are discussed in comparison with state-of-the-art shell model and mean field calculations, highlighting the crucial contribution of proton excitation across the core of 100 Sn. The reduced transition probability B(E2) of the $11/2^+_1$ core-coupled state points out an enhanced staggering with respect to the B(E2; $2^+_1$ → $0^+_1$) in the even-mass 104 Sn and 106 Sn isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Direct ab initio calculation of the 4 He nuclear electric dipole polarizability

The calculation of nuclear electromagnetic sum rules by directly diagonalizing the nuclear Hamiltonian in a large basis is numerically challenging and has not been performed for A>2 nuclei. With the significant progress of high performance computing, we show that calculating sum rules using numerous discretized continuum states obtained by directly diagonalizing the ab initio no-core shell model Hamiltonian is achievable numerically. Specifically, we calculate the 4 He electric dipole (E1) polarizability, that is an inverse energy weighted sum rule, employing the Daejeon16 NN interaction. We demonstrate that the calculations are numerically tractable as the dimension of the basis increases and are convergent. Our results for the 4 He electric dipole polarizability are consistent with the most recent experimental data and are compared with those of other theoretical studies employing different techniques and various interactions.

Astronomy & Astrophysics↗
DOE OSTI2024

Intruder band mixing in an ab initio description of 12 Be

The spectrum of 12 Be exhibits exotic features, e.g., an intruder ground state and shape coexistence, normally associated with the breakdown of a shell closure. While previous phenomenological treatments indicated the ground state has substantial contributions from intruder configurations, it is only with advances in computational abilities and improved interactions that this intruder mixing is observed in ab initio no-core shell model (NCSM) predictions. In this work, we extract electromagnetic observables and symmetry decompositions from the NCSM wave functions to demonstrate that the low-lying positive parity spectrum can be explained in terms of mixing of rotational bands with very different intrinsic structure coexisting within the low-lying spectrum. These observed bands exhibit an approximate SU(3) symmetry and are qualitatively consistent with Elliott model predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A pathway to unveiling neutrinoless ββ decay nuclear matrix elements via γγ decay

We investigate the experimental feasibility of detecting second-order double-magnetic dipole (γγ-M1M1) decays from double isobaric analog states (DIAS), which have recently been found to be strongly correlated with the nuclear matrix elements of neutrinoless ββ decay. Using the nuclear shell model, we compute theoretical branching ratios for γγ-M1M1 decays and compare them with other competing processes, such as single-γ decay and proton emission, which represent the dominant decay channels. We also estimate the potential competition from internal conversion and internal pair creation, which can influence the decay dynamics. Additionally, we propose an experimental strategy based on using LaBr3 scintillators to identify γγ-M1M1 transitions from the DIAS amidst the background of the competing processes. Our approach emphasizes the challenges of isolating the rare γγ-M1M1 decay and suggests ways to enhance the experimental detection sensitivity. Our simulations suggest that it may be possible to access experimentally γγ-M1M1 decays from DIAS, shedding light on the neutrinoless ββ decay nuclear matrix elements.

Romeo, Beatriz↗
DOE OSTI2025

The gallium solar neutrino capture cross section revisited

Solar neutrino flux constraints from the legacy GALLEX/GNO and SAGE experiments continue to influence contemporary global analyses of neutrino properties. The constraints depend on the neutrino absorption cross sections for various solar sources. Following recent work updating the 51 Cr and 37 Ar neutrino source cross sections, we reevaluate the 71 Ga solar neutrino cross sections, focusing on contributions from transitions to 71 Ge excited states, but also revising the ground-state transition to take into account new 71 Ge electron-capture lifetime measurements and various theory corrections. The excited-state contributions have been traditionally taken from forward-angle (𝑝, 𝑛) cross sections. Here we correct this procedure for the ≈ 10%–20% tensor operator contribution that alters the relationship between Gamow-Teller and (𝑝, 𝑛) transition strengths. Using state-of-the-art nuclear shell-model calculations to evaluate this correction, we find that it lowers the 8 B and hep neutrino cross sections. However, the addition of other corrections, including contributions from near-threshold continuum states that radiatively decay, leads to an overall increase in the 8 B and hep cross sections of ≈ 10% relative to the values recommended by Bahcall. Uncertainties are propagated using Monte Carlo simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Ab initio informed 20 Ne(p, pα) 16 O reaction elucidates the emergence of alpha clustering from chiral potentials

We report on the first ab initio informed α knock-out reaction in the intermediate-mass region, with the aim to probe the underlying chiral potential and its impact on the emergence of alpha clustering in this mass region. The theoretical predictions of the α+ 16 O clustering in the 20 Ne ground state, based on the ab initio symmetry-adapted no-core shell model with continuum, yield a triple differential cross section for 20 Ne(p, pα) 16 O that is in a remarkable agreement with the data. This allows us to examine predictions of surface and in-medium α-cluster features that emerge from the underlying realistic nucleon-nucleon interaction with no parameters fitted to nuclear data beyond the two-body system, and to compare these to the successful antisymmetrized molecular dynamics approach.

Sargsyan, G. H. [Michigan State Univ., East Lansin↗
DOE OSTI2026

Ab initio symmetry-adapted approaches to nuclear reactions

In this review, we discuss recent applications of the ab initio symmetry-adapted no-core shell-model (SA-NCSM) theory for study and prediction of structure and reactions of stable and unstable nuclei from light to medium mass range. We explore structure properties of neutron-rich He, Li, and Mg isotopes, with a focus on nuclear collectivity, clustering, and spectroscopic factors, as well as multi-particle excitations of utmost significance in the proximity of the drip lines. In addition, we present extensions of the SA-NCSM with continuum for determining the microscopic structure of reaction fragments, which enables calculations of reaction cross sections for targets from the lightest He to 40Ca, rooted in first principles. We illustrate this for neutron and proton elastic scattering, deuteron and alpha capture reactions, and alpha knock-out reactions. Furthermore, we discuss microscopic optical potentials with uncertainty quantification, a critical ingredient in many reaction models. As a result, we also discuss the impact of alpha clustering on reactions of significance to nuclear astrophysics, as well as on beta decays and beyond-the-standard-model physics.

Ab initio approaches to nuclear reactions↗
DOE OSTI2020

Thermodynamic and Kinetic Transitions of Liquids in Nanoconfinement

Core principles of chemistry are ubiquitously invoked to shed light on the nature of molecular level interactions in nanoconfined fluids, which play a pivotal role in a wide range of processes in geochemistry, biology, and engineering. A detailed understanding of the physicochemical processes involved in the flow, structural transitions, and freezing or melting behavior of fluids confined within nanometer-sized pores of solid materials is thus of enormous importance for both basic research and technological applications. This Account provides a perspective on new insights into the thermodynamic and kinetic transitions of nanoconfined fluids in their stable and metastable forms. After briefly introducing the unique properties of mesoporous silicas from the SBA, MCM, and FDU families that serve as the confinement matrices, combining highly ordered single and bimodal mesopore architectures with tunable pore sizes in the ~2-15 nm range and narrow size distributions, recent studies on melting/freezing behavior of water confined in these host matrices are reviewed. While differential scanning calorimetry (DSC) reveals a linear relationship between melting point depression and pore size (independent of the pore shape), as predicted by the Gibbs-Thomson relation, variable temperature 2 H wide-line nuclear magnetic resonance (NMR) spectroscopy studies confirm the core-shell model of water and give evidence for a layer-by-layer freezing mechanism, which gives rise to an apparent fragile-to-strong transition in the solidification dynamics. In contrast to the freezing/melting behavior of water, the effect of nanoconfinement on the glass transition of supercooled liquids is nonuniversal and the glass transition temperature T g can either increase or decrease with the dimensionality and extent of confinement. This nonuniversal behavior is exemplified by the two glass-forming molecular liquids, glycerol and ortho-terphenyl (OTP). While glycerol shows an increase in T g and a pronounced slowdown of the rotational dynamics of the constituent molecules due to a change in the molecular packing between the bulk and the confined liquid, OTP displays a linear and confining-media-dependent depression of T g with increased confinement that is strongly influenced by the pore-liquid interface characteristics. This Account concludes with a focus on recent experimental evidence of extreme spatial and dynamical heterogeneity in both freezing and glass transition processes. This discovery was enabled by the unique mesoporous structures of SBA-16 and FDU-5, possessing bimodal architectures with two interconnected pore types of different size and shape (spherical and cylindrical). For the very first time, two melting points for water and two glass transitions for supercooled OTP, corresponding to a specific pore type, were observed. Collectively, these observations strongly suggest a close mechanistic connection between the local fluctuations in the structure and dynamics of nanoconfined liquids. Finally, while the findings reviewed in this Account provide new insights into thermodynamic and kinetic transitions of fluids, there remain many unanswered questions regarding the effects of nanoconfinement on the fundamental properties of fluids, which offer exciting future opportunities in chemical research.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Technetium: The First Radioelement on the Periodic Table

The radioactive nature of technetium is discussed using a combination of introductory nuclear physics concepts and empirical trends observed in the chart of the nuclides and the periodic table of the elements. Trends such as the enhanced stability of nucleon pairs, magic numbers, and Mattauch's rule are described. Here, the concepts of nuclear binding energies and the nuclear shell model are introduced and used to explain the relative stability of radionuclides and, in particular, the isotopes of technetium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Role of Lead Vacancies for Optoelectronic Properties of Lead-Halide Perovskites

Methylammonium lead iodide perovskite materials have been shown to be efficient in photovoltaic devices. The current fabrication process has not been perfected, leaving defects such as site vacancies, which can trap charge and have a detrimental effect on photogenerated charge carriers. Here focus is placed on the effect a Pb site vacancy has on the charge-carrier dynamics following photoexcitation. The electronic structure of materials with vacancies is often found in open-shell configurations with unpaired electrons in the conduction/valence bands To accurately describe unpaired electrons, spin-polarized and noncollinear spin calculations are performed on both neutral and charged vacancy systems. This work presents spin-polarized and noncollinear spin ground-state electronic structures and nonradiative rates of charge-carrier relaxation and introduces an extension to a novel procedure to compute photoluminescence spectra for open-shell models. This study describes nonadiabatic dynamics of MAPbI 3 models within a Redfield formalism focusing on the role of a Pb vacancy defect on electronic relaxation processes. Results show the vacancy of the Pb ion introducing a new energy state within the unblemished material band gap region. Finally, this additional unoccupied state is expected to increase the nonradiative relaxation lifetime of the excited electron, allowing for a longer lifetime of the charge carrier and increased opportunity for secondary relaxation mechanisms or collection to take place.

14 SOLAR ENERGY↗